Low-energy elastic electron scattering cross sections of acrylic acid and its methylated derivatives

Abstract

In the present work we report elastic cross sections for electron scattering from acrylic acid (CH2=CH-COOH) and its methylated derivatives, crotonic acid (CH3–CH=CH–COOH), methacrylic acid (H2C=C(CH3)COOH) and methyl acrylate (CH2=CHCOOCH3). The calculations were performed with the Schwinger multichannel method for impact energies up to 15 eV. Two π∗ shape resonances were found in the component of the integral cross sections for the A'' symmetry of all molecules. The resonance positions obtained for the acrylic acid are compared with existing experimental results for dissociative electron attachment. We investigated the influence of methylation through the comparison of the positions and widths of the shape resonances in the component of the integral cross section of the A'', and the oscillation patterns in the differential cross sections of all molecules. We also present the momentum transfer cross section for electron scattering from all molecules studied

The Role of Molecular Structure in Monte Carlo Simulations of the Secondary Electron Yield and Backscattering Coefficient from Methacrylic Acid

“…The cartesian coordinates of the four conformers are given in Appendix A . The two chain-like conformers CC and TC have been also found by Badawi et al [ 9 ] and by Frighetto et al [ 10 ]. The two ring-like conformers have not been discussed previously.…”

“…We found four stable conformers of MAA. Previous studies [ 9 , 10 ] found only the two chain-like conformers CC and TC. For the first time, the two ring-like conformers CR and TR are discussed.…”

“…We found four stable conformers of MAA. In previous studies by Badawi et al [ 9 ] and by Frighetto and Bettega [ 10 ], only two of these conformers are discussed.…”